N-(3,3-dimethylcyclopentyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide

C15H26N2O3S — CID 114552199

IUPACN-(3,3-dimethylcyclopentyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
SMILESCNCc1c(C)oc(C)c1S(=O)(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C15H26N2O3S/c1-10-13(9-16-5)14(11(2)20-10)21(18,19)17-12-6-7-15(3,4)8-12/h12,16-17H,6-9H2,1-5H3
InChIKeyFOOZSZCWYVJPEY-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.47
Rot. Bonds5

About N-(3,3-dimethylcyclopentyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide

N-(3,3-dimethylcyclopentyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide (PubChem CID 114552199) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
PubChem CID114552199
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-(3,3-dimethylcyclopentyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
SMILESCNCc1c(C)oc(C)c1S(=O)(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C15H26N2O3S/c1-10-13(9-16-5)14(11(2)20-10)21(18,19)17-12-6-7-15(3,4)8-12/h12,16-17H,6-9H2,1-5H3
InChIKeyFOOZSZCWYVJPEY-UHFFFAOYSA-N
XLogP2.47
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-4-(methylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide
CID 106084440
N-(cyclobutylmethyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 106024727
4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2,5-dimethylfuran-3-sulfonamide
CID 106075114
2,5-dimethyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106063009
N-(3,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylfuran-3-sulfonamide
CID 114552223
3-amino-N-(3,3-dimethylcyclopentyl)-2,6-dimethylbenzenesulfonamide
CID 114542968
N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide
CID 114545447
N-(3,3-dimethylcyclohexyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106072978
4-[(3,3-dimethylcyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 114543702
4-(ethylaminomethyl)-2,5-dimethyl-N-(1-methylpyrrolidin-3-yl)furan-3-sulfonamide
CID 106052694
N-(3,3-dimethylcyclopentyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 114541502
1-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2,5-dimethylfuran-3-yl]-N-methylmethanamine
CID 104969169

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide (CID 114552199) is N-(3,3-dimethylcyclopentyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide is CNCc1c(C)oc(C)c1S(=O)(=O)NC1CCC(C)(C)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide?
The InChIKey is FOOZSZCWYVJPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-10-13(9-16-5)14(11(2)20-10)21(18,19)17-12-6-7-15(3,4)8-12/h12,16-17H,6-9H2,1-5H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide?
N-(3,3-dimethylcyclopentyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide is sourced from PubChem (CID 114552199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).